N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide

C20H18FN3O2 — CID 113210681

IUPACN-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2(c3c[nH]c4ccc(F)cc34)CC2)c1
InChIInChI=1S/C20H18FN3O2/c1-12(25)23-14-3-2-4-15(10-14)24-19(26)20(7-8-20)17-11-22-18-6-5-13(21)9-16(17)18/h2-6,9-11,22H,7-8H2,1H3,(H,23,25)(H,24,26)
InChIKeyQVZPPHUNVBLKSI-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.94
Rot. Bonds4

About N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide

N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide (PubChem CID 113210681) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
PubChem CID113210681
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2(c3c[nH]c4ccc(F)cc34)CC2)c1
InChIInChI=1S/C20H18FN3O2/c1-12(25)23-14-3-2-4-15(10-14)24-19(26)20(7-8-20)17-11-22-18-6-5-13(21)9-16(17)18/h2-6,9-11,22H,7-8H2,1H3,(H,23,25)(H,24,26)
InChIKeyQVZPPHUNVBLKSI-UHFFFAOYSA-N
XLogP3.94
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-fluoro-1H-indol-3-yl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 113211186
N-(3,5-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210710
N-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210711
N-(2-ethylphenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210646
N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211009
1-(6-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 113211144
1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 113211034
N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209987
1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113210870
1-(5-fluoro-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 113210584
N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide
CID 113085017

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide (CID 113210681) is N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide is CC(=O)Nc1cccc(NC(=O)C2(c3c[nH]c4ccc(F)cc34)CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is QVZPPHUNVBLKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-12(25)23-14-3-2-4-15(10-14)24-19(26)20(7-8-20)17-11-22-18-6-5-13(21)9-16(17)18/h2-6,9-11,22H,7-8H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide?
N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113210681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).